SCHEMBL2204813

SCHEMBL2204813

COc1cc(N2CCC(C3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.46
▸ IGF1R P08069 8/20 0.46
▸ INSR P06213 5/20 0.46
▸ MAPK8 P45983 4/20 0.46
▸ MAPK10 P53779 2/20 0.46
▸ GRK2 P25098 1/20 0.41
▸ GRK5 P34947 1/20 0.41
▸ GRK1 Q15835 1/20 0.41
▸ ZAP70 P43403 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2207681 0.93 INSR (0.53) ALKIGF1RINSRMAPK8MAPK10
SCHEMBL2204907 0.88 ALK (0.52) ALKIGF1RINSRMAPK8MAPK10
SCHEMBL2205460 0.86 INSR (0.51) ALKIGF1RINSRMAPK8MAPK10
SCHEMBL2204054 0.86 INSR (0.51) ALKIGF1RINSRMAPK8MAPK10
SCHEMBL2205360 0.86 ALK (0.50) ALKIGF1RINSRMAPK8MAPK10
SCHEMBL2205970 0.85 IGF1R (0.51) ALKIGF1RINSRMAPK8MAPK10
SCHEMBL2204817 0.85 IGF1R (0.52) ALKIGF1RINSRMAPK8MAPK10
SCHEMBL2209341 0.84 IGF1R (0.52) ALKIGF1RINSRMAPK8MAPK10
SCHEMBL2206959 0.83 IGF1R (0.65) ALKIGF1RINSRMAPK8MAPK10
SCHEMBL2209131 0.83 IGF1R (0.50) ALKIGF1RINSRMAPK8MAPK10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 — — EP disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 — — US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 — — US disclosed
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 — — EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 ALK 285/4885IGF1R 1/4885INSR 17/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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